SCHEMBL16005229

SCHEMBL16005229

COC(=O)c1ccc(N(Cc2cc(Br)cc(Cl)c2O)C(C)=O)cc1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.35
KDM4E B2RXH2 4/20 0.34
ACLY P53396 3/20 0.34
CFD P00746 2/20 0.33
BRD4 O60885 1/20 0.33
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16005151 0.90 ACLY (0.36) TSPOKDM4EACLYKMT2AHSD17B10
SCHEMBL16005607 0.86 KDM4E (0.42) TSPOKDM4EHSD17B10LMNAHPGD
SCHEMBL16005814 0.81 KDM4E (0.46) KDM4EACLYCFDHSD17B10LMNA
SCHEMBL16005003 0.79 EGFR (0.44) KDM4EKMT2AHSD17B10CYP2C9ALDH1A1
SCHEMBL16005130 0.71 MAPT (0.47) KDM4EKMT2ALMNAALDH1A1
SCHEMBL16005243 0.68 CA12 (0.48) KDM4EKMT2ALMNACYP2C9HPGD
SCHEMBL3489830 0.66 GAA (0.42) KDM4EACLYLMNAHPGDALDH1A1
SCHEMBL31343490 0.66 CFD (0.48) KDM4ECFDKMT2AHSD17B10LMNA
SCHEMBL8003987 0.66 CFD (0.48) KDM4ECFDKMT2AHSD17B10LMNA
SCHEMBL7952926 0.65 KDM4E (0.70) KDM4EKMT2AHSD17B10LMNACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Neurodawn Pharmaceutical Co., Ltd. (CN) 2014-10-09 US claimed
EP-2774914-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Nanjing Medical University (CN) 2014-09-10 EP claimed
EP-2774914-B1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF UNIV NANJING MEDICAL (CN) 2017-12-06 EP disclosed
US-9481636-B2 N-benzylaniline derivative and uses thereof NANJING MEDICAL UNIVERSITY (CN) 2016-11-01 US disclosed
US-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Neurodawn Pharmaceutical Co., Ltd. (CN) 2014-10-09 US disclosed
EP-2774914-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Nanjing Medical University (CN) 2014-09-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF NLN, INA, TRPV1 TSPO 550/4885KDM4E 2946/4885ACLY 340/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.